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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL1202052
Molecular formula	C22H39N3O3
IUPAC name	tert-butyl N-[8-[methyl(4-pyrrolidin-1-ylbut-2-ynyl)amino]-8-oxooctyl]carbamate
Molecular weight	393.572
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.1
Synonyms	8-Aminooctamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-N'-t-butyloxycarbonyl- tert-butyl N-[8-[methyl(4-pyrrolidin-1-ylbut-2-ynyl)amino]-8-oxooctyl]carbamate BDBM50368049 N-Methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-8-(Boc-amino)octanamide AAZZRQOLTDMXGV-UHFFFAOYSA-N 8-Aminooctamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-N'-BOC- tert-Butyl 8-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-8-oxooctylcarbamate # AC1LB7Y7 CHEMBL350134 [ Show all ]
Inchi Key	AAZZRQOLTDMXGV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H39N3O3/c1-22(2,3)28-21(27)23-15-9-7-5-6-8-14-20(26)24(4)16-10-11-17-25-18-12-13-19-25/h5-9,12-19H2,1-4H3,(H,23,27)
PubChem CID	578009
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50368049
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
681	Muscarinic acetylcholine receptor M3	P08483	Chrm3	Rattus norvegicus (Rat)	589

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